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2-Ethylpentyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

HCID 86217
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
125643-61-0
Standard SMILES
CCCC(CC)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey
CFXCGWWYIDZIMU-UHFFFAOYSA-N
Molecular formula
C24H40O3
Average molar mass
376.6 g/mol
Monoisotopic mass
376.29774513

Names & identifiers

Preferred name
2-Ethylpentyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
IUPAC
2-ethylpentyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
English name
Antioxidant 1135
Molecular formula
C25H42O3
Molecular weight
390.6

Names & synonyms

2-ethylpentyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoateSCHEMBL3734342-ethylpentyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoateIRGANOX 1135octyl-3,5-di-tert-butyl-4-hydroxy-hydrocinnamateCHLUMIAO 1135F87032AN-1135AO-1135ylestersAt 1135C25H42O3
Show more names
GSTIOX 1135

Database identifiers

CAS
125643-61-0
PubChem CID
86217

Properties

Computed structural properties

XLogP
7.6
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
11
Heavy atoms
27
Formal charge
0
Complexity
420

Physicochemical properties

Boiling point
343 · 343-370.65℃[at 101 325 Pa]
Density
0.96 · 0.96-0.97[at 20℃]
vapor pressure
0 · 0-0.002Pa at 20-25℃
storage temp.
-20 °C · -20°C Freezer, Under inert atmosphere
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Oil
color
Colourless
Viscosity
6.2 mm2/s · 6.2mm2/s
Water Solubility
30 · 30-121μg/L at 20℃
InChI
InChI=1S/C25H42O3/c1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7/h17-18,27H,8-16H2,1-7H3
InChIKey
CFXCGWWYIDZIMU-UHFFFAOYSA-N
SMILES
C1(C=C(C(O)=C(C(C)(C)C)C=1)C(C)(C)C)CCC(=O)OCCCCCCCC
LogP
7.18 · 7.18-9.2 at 0-30℃
CAS DataBase Reference
125643 · 125643-61-0(CAS DataBase Reference)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed
hs_code
2918290090
Signal word
Danger
Symbol(GHS)
GHS06,GHS08
Hazard statements
H301-H311-H331-H341
REACH Registrations
Active
Precautionary statements
P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501

Chemistry & industry

Applications · 3 items

UsesAntioxidant 1135 is a benzenepropanoic acid, 3,5-bis (1,1-dimethyl-ethyl)-4-hydroxy-C7-C9 branched alkyl esters. It is 100% active, hindered phenolic primary antioxidant for processing and long-term thermal stabilization. Antioxidant 1135 prevents the formation of peroxides in the polyol during storage, transport, and further protects against scorching during foaming. Its low volatility and excellent compatibility helps to prevent fogging in automotive applications and to prevent staining of textiles (e.g. furniture, carpeting, head rests etc.). Used for the stabilization of polyurethane flexible slabstock foams. Its typical use levels are between 0.15-0.5%.

DescriptionAntioxidant 1135 is hindered phenolic primary antioxidant for processing and long-term thermal stabilization. Used for the stabilization of polyurethane flexible foams. Its typical use levels are between 0.15 % and 0.5 %.

UsesOctyl-3,5-di-tert-butyl-4-hydroxyhydrocinnamate (cas# 125643-61-0) is an intermediate in synthesizing 7,9-Di-tert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione (D493755), an antioxidant naturally found in aerial parts of Gmelina asiatica Linn (Verbenaceae). It is also found in essential oils of some Stachys species from Mediterranean area. It is an impurity of Irganox used in the food packaging.

Suppliers100 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海创欣化学有限公司021-54253545
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州景优化工有限公司87211835 13957193240 · [email protected]
武汉欣扬瑞和化学科技有限公司

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
EPA Substance Registry System
3 · Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, C7-9-branched alkyl esters (125643-61-0)
Symbol(GHS)
6 · GHS06,GHS08
Signal word
Danger
Hazard statements
301 · H301-H311-H331-H341
Precautionary statements
201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
TSCA
TSCA listed
HS Code
2918290090 · 2918290090
REACH Registrations
Active
153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
恒桥产业股份有限公司025-84712192 · [email protected]
烟台恒诺新材料有限公司0535-6397790 18653519533 · [email protected]
武汉卡诺斯科技有限公司153-37111468 15337111468 · [email protected]
湖北隆信化工实业有限公司15271551270 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
青岛德达志成化工有限公司18766299236 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
常州市尚科医药化工材料有限公司0519-85269522 15906111708 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
天津霖谊化工科技有限公司022-58788819 13602056505
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
桦特昇生物科技(武汉)有限公司027-59207879 1972026995 18140587686 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
昌和化学新材料(江苏)有限公司18020181352 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
泰安市江舟生物科技有限公司1385-13854830383 13854830383 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海西格生物科技有限公司021-57810052 18930344717 · [email protected]
湖北阡陌生物科技有限公司0711-3812399 18062309155 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]

Additional notes

DefinitionChEBI: Octyl-3,5-di-tert-butyl-4-hydroxy-hydrocinnamate is a carboxylic ester.